Crystal structure of a chimeric acetylcholine binding protein from aplysia californica (ac-achbp) containing the main immunogenic region (mir) from the human alpha 1 subunit of the muscle nicotinic acetylcholine receptor in complex with anatoxin-a.

Structure

x-ray diffraction · 3 distinct chains · 8% helix, 50% strand (DSSP).

Ligands and binding sites

• 4P0 · 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone · ligand · 3 copies · chains B, C, A, D, E

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Interfaces

5 interfaces between chains.

• A–D · 1417 Ų buried · 17 hydrogen bonds · protein-protein
• B–C · 1382 Ų buried · 17 hydrogen bonds · protein-protein
• B–E · 1379 Ų buried · 15 hydrogen bonds · protein-protein
• A–E · 1221 Ų buried · 13 hydrogen bonds · protein-protein
• C–D · 1209 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

• 4ZJS · Crystal structure of a chimeric acetylcholine binding protein from Aplysia Californica… · the same entry in another collection · chain E against E, TM-score 1.00
• P02708 · AlphaFold monomer V2.0 prediction for acetylcholine receptor subunit alpha (P02708) · a predicted model of the same protein · chain E against A, TM-score 0.93

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P02708
• Every structure of UniProt Q8WSF8
• Elsewhere: RCSB PDB 4ZJS · PDBe 4ZJS · UniProt P02708 · UniProt Q8WSF8